(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one

C12H14O5S — CID 138968732

IUPAC(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one
SMILESC[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=O)O1
InChIInChI=1S/C12H14O5S/c1-12(9-16-11(13)17-12)7-8-18(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m1/s1
InChIKeyIQPGHSJWEBEPLE-GFCCVEGCSA-N
MW270.31 g/mol
LogP1.78
Rot. Bonds4

About (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one

(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one (PubChem CID 138968732) has the molecular formula C12H14O5S and a molecular weight of 270.31 g/mol. Its IUPAC name is (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one
PubChem CID138968732
Molecular FormulaC12H14O5S
Molecular Weight270.31 g/mol
Exact Mass270.06
IUPAC Name(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one
SMILESC[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=O)O1
InChIInChI=1S/C12H14O5S/c1-12(9-16-11(13)17-12)7-8-18(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m1/s1
InChIKeyIQPGHSJWEBEPLE-GFCCVEGCSA-N
XLogP1.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-Phenylsulfanyl-[1,3]dioxolan-2-one
CID 11287057
Tert-butyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350122
Butyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350141
Methyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350147
Ethyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350166
(1-Phenylthiolan-1-ium-3-yl) propan-2-yl carbonate;trifluoromethanesulfonate
CID 18350243
(1-Phenylthiolan-1-ium-3-yl) propyl carbonate;trifluoromethanesulfonate
CID 18350304
[3-[(2-Methylpropan-2-yl)oxycarbonyloxy]-1-phenylthiolan-1-yl] trifluoromethanesulfonate
CID 57127386

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one (CID 138968732) is (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one is C[C@@]1(CCS(=O)(=O)c2ccccc2)COC(=O)O1.
What is the InChIKey of (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one?
The InChIKey is IQPGHSJWEBEPLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O5S/c1-12(9-16-11(13)17-12)7-8-18(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one?
(4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one has a molecular weight of 270.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(benzenesulfonyl)ethyl]-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138968732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).